1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine

C14H17N3O2 — CID 63743359

IUPAC1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1noc(-c2ccc3c(c2)COC3)n1
InChIInChI=1S/C14H17N3O2/c1-8(2)12(15)13-16-14(19-17-13)9-3-4-10-6-18-7-11(10)5-9/h3-5,8,12H,6-7,15H2,1-2H3
InChIKeyFDTRSPBHDZTRJN-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.42
Rot. Bonds3

About 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine

1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine (PubChem CID 63743359) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
PubChem CID63743359
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1noc(-c2ccc3c(c2)COC3)n1
InChIInChI=1S/C14H17N3O2/c1-8(2)12(15)13-16-14(19-17-13)9-3-4-10-6-18-7-11(10)5-9/h3-5,8,12H,6-7,15H2,1-2H3
InChIKeyFDTRSPBHDZTRJN-UHFFFAOYSA-N
XLogP2.42
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine with MolForge

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Related Compounds

1-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61326268
1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63744389
3-chloro-5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571868
1-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325232
2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325235
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325023
3-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 61324207
5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136966696
2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435341
3-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 63743862
2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636453
1-[5-(5-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61324411

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine (CID 63743359) is 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine is CC(C)C(N)c1noc(-c2ccc3c(c2)COC3)n1.
What is the InChIKey of 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
The InChIKey is FDTRSPBHDZTRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8(2)12(15)13-16-14(19-17-13)9-3-4-10-6-18-7-11(10)5-9/h3-5,8,12H,6-7,15H2,1-2H3.
What are the key properties of 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine?
1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 63743359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).